SCHEMBL1029251

SCHEMBL1029251

O=C(O)[C@@H]1C(c2ccccc2)[C@@H]1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.64
▸ ALDH1A1 P00352 1/20 0.62
▸ GAA P10253 2/20 0.58
▸ EDNRA P25101 1/20 0.58
▸ GRM1 Q13255 2/20 0.57
▸ GRM2 Q14416 1/20 0.57
▸ GRM4 Q14833 1/20 0.57
▸ FABP7 O15540 6/20 0.56
▸ FABP5 Q01469 5/20 0.56
▸ HDAC4 P56524 2/20 0.56
▸ HDAC3 O15379 1/20 0.56
▸ HDAC7 Q8WUI4 1/20 0.56
▸ HDAC8 Q9BY41 1/20 0.56
▸ HDAC6 Q9UBN7 1/20 0.56
▸ HDAC9 Q9UKV0 1/20 0.56
▸ HDAC5 Q9UQL6 1/20 0.56
▸ FABP3 P05413 3/20 0.55
▸ P4HB P07237 1/20 0.55
▸ HTT P42858 1/20 0.55

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8643008 1.00 POLB (0.64) POLBALDH1A1GAAEDNRAGRM1
SCHEMBL8932091 0.97 POLB (0.62) POLBALDH1A1GAAEDNRAGRM1
SCHEMBL20614651 0.95 POLB (0.70) POLBALDH1A1GAAEDNRAGRM1
SCHEMBL20598122 0.95 POLB (0.70) POLBALDH1A1GAAEDNRAGRM1
SCHEMBL18674152 0.95 POLB (0.70) POLBALDH1A1GAAEDNRAGRM1
SCHEMBL4560501 0.95 POLB (0.70) POLBALDH1A1GAAEDNRAGRM1
SCHEMBL3482659 0.95 HDAC4 (0.61) POLBALDH1A1GAAEDNRAGRM1
SCHEMBL21120223 0.95 POLB (0.70) POLBALDH1A1GAAEDNRAGRM1
SCHEMBL3482620 0.95 POLB (0.70) POLBALDH1A1GAAEDNRAGRM1
SCHEMBL15590565 0.95 POLB (0.70) POLBALDH1A1GAAEDNRAGRM1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1814855-B1 DICARBOXAMIDE DERIVATIVES AND THEIR USE AS FACTOR XA INHIBITORS HOFFMANN LA ROCHE (CH) 2011-01-19 — — EP disclosed
US-20090270360-A1 DICARBOXAMIDE DERIVATIVES BOEHRINGER MARKUS 2009-10-29 — — US disclosed
US-7501413-B2 Dicarboxamide derivatives HOFFMANN-LA ROCHE INC. (US) 2009-03-10 — — US disclosed
EP-1814855-A2 DICARBOXAMIDE DERIVATIVES AND THEIR USE AS FACTOR XA INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-08-08 — — EP disclosed
US-20060106016-A1 Dicarboxamide derivatives HOFFMANN-LA ROCHE INC. 2006-05-18 — — US disclosed
WO-2006048152-A2 DICARBOXAMIDE DERIVATIVES AND THEIR USE AS FACTOR XA INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-11 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060106016-A1 Dicarboxamide derivatives F2, F12, TFPI POLB 3769/4885ALDH1A1 1180/4885GAA 757/4885
US-20090270360-A1 DICARBOXAMIDE DERIVATIVES F2, F12, TFPI POLB 3769/4885ALDH1A1 1180/4885GAA 757/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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